[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-isoquinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Traditional Name: (4-piperonylpiperazino)-[1-[4-(2-pyrimidyl)piperazino]-4-isoquinolyl]methanone Formula: C30H31N7O3 MolecularWeight: 537.61224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=C(C5=CC=CC=C54)N6CCN(CC6)C7=NC=CC=N7

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=C(C5=CC=CC=C54)N6CCN(CC6)C7=NC=CC=N7

InChI

InChI=1S/C30H31N7O3/c38-29(36-12-10-34(11-13-36)20-22-6-7-26-27(18-22)40-21-39-26)25-19-33-28(24-5-2-1-4-23(24)25)35-14-16-37(17-15-35)30-31-8-3-9-32-30/h1-9,18-19H,10-17,20-21H2